2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane

C12H13NO4 — CID 67020081

IUPAC2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane
SMILESCC1(C=Cc2ccccc2[N+](=O)[O-])OCCO1
InChIInChI=1S/C12H13NO4/c1-12(16-8-9-17-12)7-6-10-4-2-3-5-11(10)13(14)15/h2-7H,8-9H2,1H3
InChIKeyUXFFFOUEIIGBFO-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane

2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane (PubChem CID 67020081) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane
PubChem CID67020081
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane
SMILESCC1(C=Cc2ccccc2[N+](=O)[O-])OCCO1
InChIInChI=1S/C12H13NO4/c1-12(16-8-9-17-12)7-6-10-4-2-3-5-11(10)13(14)15/h2-7H,8-9H2,1H3
InChIKeyUXFFFOUEIIGBFO-UHFFFAOYSA-N
XLogP2.37
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 35370633
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane
CID 11819867
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
CID 5077888
ethane;2-nitrobenzaldehyde
CID 91029364
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane (CID 67020081) is 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane is CC1(C=Cc2ccccc2[N+](=O)[O-])OCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane?
The InChIKey is UXFFFOUEIIGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-12(16-8-9-17-12)7-6-10-4-2-3-5-11(10)13(14)15/h2-7H,8-9H2,1H3.
What are the key properties of 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane?
2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane has a molecular weight of 235.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 67020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).